• Formula : HgPb2(ClO)2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 11.788
    b = 3.91
    c = 7.749
    α = 90.0
    β = 122.64
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 66
  • Band gap = 2.0457 eV
    Direct Gap = 2.198 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74973

Band structure with spin-orbit coupling